2-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)propan-1-one

C13H15FO2 — CID 83153883

IUPAC2-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(C(=O)C(C)C2CC2)cc1F
InChIInChI=1S/C13H15FO2/c1-8(9-3-4-9)13(15)10-5-6-12(16-2)11(14)7-10/h5-9H,3-4H2,1-2H3
InChIKeyGWRFWTDFKNOKSZ-UHFFFAOYSA-N
MW222.26 g/mol
LogP3.06
Rot. Bonds4

About 2-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)propan-1-one

2-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)propan-1-one (PubChem CID 83153883) has the molecular formula C13H15FO2 and a molecular weight of 222.26 g/mol. Its IUPAC name is 2-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name2-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)propan-1-one
PubChem CID83153883
Molecular FormulaC13H15FO2
Molecular Weight222.26 g/mol
Exact Mass222.11
IUPAC Name2-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(C(=O)C(C)C2CC2)cc1F
InChIInChI=1S/C13H15FO2/c1-8(9-3-4-9)13(15)10-5-6-12(16-2)11(14)7-10/h5-9H,3-4H2,1-2H3
InChIKeyGWRFWTDFKNOKSZ-UHFFFAOYSA-N
XLogP3.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 82048621
2-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-one
CID 107291229
3-amino-1-(3-fluoro-4-methoxyphenyl)-2-methylpropan-1-one
CID 116564462
methyl 3-(cyclopropylamino)-4-(3-fluoro-4-methoxyphenyl)-4-oxobutanoate
CID 82349976
2-amino-3-(3-fluoro-4-methoxyphenyl)-3-oxopropanoic acid
CID 116920466
1-(3-fluoro-4-methoxyphenyl)-2-hydroxy-3-(methylamino)propan-1-one
CID 116826719
[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 8540784
[4-(1-aminoethyl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 63597078
(3-fluoro-4-methoxyphenyl)-(4-fluorophenyl)methanone
CID 3021160
(3-fluoro-4-methoxyphenyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112627165
1-[3-bromo-4-(2-methoxyethoxy)phenyl]-2-cyclopropylpropan-1-one
CID 104657118
3-fluoro-4-methoxybenzoate
CID 4251674

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)propan-1-one?
The IUPAC name of 2-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)propan-1-one (CID 83153883) is 2-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)propan-1-one.
What is the SMILES notation for 2-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)propan-1-one?
The canonical SMILES for 2-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)propan-1-one is COc1ccc(C(=O)C(C)C2CC2)cc1F.
What is the InChIKey of 2-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)propan-1-one?
The InChIKey is GWRFWTDFKNOKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO2/c1-8(9-3-4-9)13(15)10-5-6-12(16-2)11(14)7-10/h5-9H,3-4H2,1-2H3.
What are the key properties of 2-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)propan-1-one?
2-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)propan-1-one has a molecular weight of 222.26 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 83153883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).